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K. L. Baluja

Publications and source records attributed to K. L. Baluja.

2 recordsLinked to original sources

Electron-impact dissociation cross sections of vibrationally excited He2+ molecular ion

Electron-impact cross sections for the dissociation process of vibrationally excited He2+ molecular ion, as a function of the incident electron energy are calculated for the dissociative transition X2Σ+u \to A2Σ+g by using the R-matrix method in the adiabatic-nuclei approximation. The potential energy curves for the involved electronic states and target properties, also calculated with the R-matrix method, were found to be in good agreement with the results reported in literature.

physics.plasm-ph

Correlation-Polarization Effects in Electron/Positron Scattering from Acetylene: A Comparison of Computational Models

Different computational methods are employed to evaluate elastic (rotationally summed) integral and differential cross sections for low energy (below about 10 eV) positron scattering off gas-phase C$_2$H$_2$ molecules. The computations are carried out at the static and static-plus-polarization levels for describing the interaction forces and the correlation-polarization contributions are found to be an essential component for the correct description of low-energy cross section behavior. The local model potentials derived from density functional theory (DFT) and from the distributed positron model (DPM) are found to produce very high-quality agreement with existing measurements. On the other hand, the less satisfactory agreement between the R-matrix (RM) results and measured data shows the effects of the slow convergence rate of configuration-interaction (CI) expansion methods with respect to the size of the CI-expansion. To contrast the positron scattering findings, results for electron-C$_2$H$_2$ integral and differential cross sections, calculated with both a DFT model potential and the R-matrix method, are compared and analysed around the shape resonance energy region and found to produce better internal agreement.

physics.chem-ph